[(E)-2-cyanoethylideneamino]urea

C4H6N4O — CID 55290553

IUPAC[(E)-2-cyanoethylideneamino]urea
SMILESN#CC/C=N/NC(N)=O
InChIInChI=1S/C4H6N4O/c5-2-1-3-7-8-4(6)9/h3H,1H2,(H3,6,8,9)/b7-3+
InChIKeyCWYOWMMHZCBECU-XVNBXDOJSA-N
MW126.12 g/mol
LogP-0.45
Rot. Bonds2

About [(E)-2-cyanoethylideneamino]urea

[(E)-2-cyanoethylideneamino]urea (PubChem CID 55290553) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is [(E)-2-cyanoethylideneamino]urea.

Molecular Properties

Compound Name[(E)-2-cyanoethylideneamino]urea
PubChem CID55290553
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name[(E)-2-cyanoethylideneamino]urea
SMILESN#CC/C=N/NC(N)=O
InChIInChI=1S/C4H6N4O/c5-2-1-3-7-8-4(6)9/h3H,1H2,(H3,6,8,9)/b7-3+
InChIKeyCWYOWMMHZCBECU-XVNBXDOJSA-N
XLogP-0.45
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyanoethylideneamino]urea?
The IUPAC name of [(E)-2-cyanoethylideneamino]urea (CID 55290553) is [(E)-2-cyanoethylideneamino]urea.
What is the SMILES notation for [(E)-2-cyanoethylideneamino]urea?
The canonical SMILES for [(E)-2-cyanoethylideneamino]urea is N#CC/C=N/NC(N)=O.
What is the InChIKey of [(E)-2-cyanoethylideneamino]urea?
The InChIKey is CWYOWMMHZCBECU-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H6N4O/c5-2-1-3-7-8-4(6)9/h3H,1H2,(H3,6,8,9)/b7-3+.
What are the key properties of [(E)-2-cyanoethylideneamino]urea?
[(E)-2-cyanoethylideneamino]urea has a molecular weight of 126.12 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyanoethylideneamino]urea is sourced from PubChem (CID 55290553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).